AC1LYM5F
(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|(E)-5-((1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione|(5E)-5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C18H15ClFN3O2S |
|---|---|
| Molecular Weight | 391.05576 g/mol |
| LogP | 3.14314 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.05576 |
| Monoisotopic Mass | 391.05576 |
| Heavy Atoms | 26 |
| Complexity | 996.5627 |
Chemical Identifiers
| CAS Number | 677754-81-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)/C=C/3\C(=O)NC(=S)N(C3=O)C |
Product Overview
AC1LYM5F (CAS 677754-81-3), with molecular formula C18H15ClFN3O2S and molecular weight 391.05576 g/mol. IUPAC: (5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
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